Roseorubicin B
TL;DR: Roseorubicin B (CAS 70559-01-2) is a chemical compound with molecular formula C36H48N2O11 and molecular weight 684.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[4-(dimethylamino)-5-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Roseorubicin B, 10-[4-(dimethylamino)-5-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, 10-(4-(dimethylamino)-5-(4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione, 2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)-4-O-[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]hexopyranoside, BRN 1417572
| Molecular Formula | C36H48N2O11 |
|---|---|
| Molecular Weight | 684.33 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 684.3258 |
| Heavy Atoms | 49 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 70559-01-2 |
|---|---|
| SMILES | CCC1(CCC2=C(C1OC3CC(C(C(O3)C)OC4CC(C(C(O4)C)O)N(C)C)N(C)C)C(=C5C(=C2O)C(=O)C6=C(C5=O)C=CC=C6O)O)O |
| InChIKey | ARWQKOSWMQNCLS-UHFFFAOYSA-N |
Product Overview
Roseorubicin B (CAS 70559-01-2), with molecular formula C36H48N2O11 and molecular weight 684.33 g/mol. IUPAC: 10-[4-(dimethylamino)-5-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Roseorubicin B
Property Insights of Roseorubicin B
The XLogP value of 3.7 indicates that Roseorubicin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.0 Ų indicates high polarity, suggesting Roseorubicin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Roseorubicin B has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Roseorubicin B?
The CAS number of Roseorubicin B is 70559-01-2.
What is the molecular formula of Roseorubicin B?
The molecular formula of Roseorubicin B is C36H48N2O11.
What is the molecular weight of Roseorubicin B?
The molecular weight of Roseorubicin B is 684.33 g/mol.
Where can I buy Roseorubicin B?
You can request a quote for Roseorubicin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roseorubicin B?
Yes, KEHONG BIO provides custom synthesis services for Roseorubicin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.